methyl 4-[3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]propanoylamino]benzoate

Systemtic Name: methyl 4-[3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]propanoylamino]benzoate Openeye Name: methyl 4-[3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)propanoylamino]benzoate CAS Name: 4-[[3-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)propanoylamino]benzoate Traditional Name: 4-[3-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]propanoylamino]benzoic acid methyl ester Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H23N3O4S/c1-15-19(21(28)26-23(24-15)31-14-16-6-4-3-5-7-16)12-13-20(27)25-18-10-8-17(9-11-18)22(29)30-2/h3-11H,12-14H2,1-2H3,(H,25,27)(H,24,26,28)